Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5384768

CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C=Cc1ccccc1.[Cl-]

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.76
KMT2A Q03164 3/20 0.62
HDAC3 O15379 6/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
MMP1 P03956 1/20 0.51
POLB P06746 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
RECQL P46063 1/20 0.51
APP P05067 1/20 0.51
ZDHHC2 Q9UIJ5 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL18118011 1.00 EGFR (0.76) EGFRKMT2AHDAC3HDAC1HDAC2
SCHEMBL7199485 0.99 EGFR (0.78) EGFRKMT2AHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL21542083 0.87 PTGS2 (0.59) EGFRKMT2AHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL31430469 0.87 PTGS2 (0.59) EGFRKMT2AHDAC3HDAC1HDAC2
N-Dodecylcinnamamide SCHEMBL16596238 0.87 EGFR (1.00) EGFRKMT2AHDAC3HDAC1HDAC2
SCHEMBL28975079 0.87 EGFR (1.00) EGFRKMT2AHDAC3HDAC1HDAC2
N-Hexadecylcinnamamide SCHEMBL2727701 0.87 EGFR (1.00) EGFRKMT2AHDAC3HDAC1HDAC2
N-Octylcinnamamide SCHEMBL10706126 0.87 EGFR (1.00) EGFRKMT2AHDAC3HDAC1HDAC2
N-Dodecylcinnamamide SCHEMBL28975087 0.87 EGFR (1.00) EGFRKMT2AHDAC3HDAC1HDAC2
N-Pentylcinnamamide SCHEMBL7913716 0.86 EGFR (0.97) EGFRKMT2AHDAC3HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205436-B2 Process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and / or benzamidoalkylamines GALAXY SURFACTANTS LIMITED (IN) 2007-04-17 US disclosed
US-7045139-B2 Process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and/or benzamidoalkylamines GALAXY SURFACTANTS LIMITED (IN) 2006-05-16 US disclosed
US-20050209327-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and / or benzamidoalkylamines GALAXY SURFACTANTS LTD. (IN) 2005-09-22 US disclosed
US-20050080135-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and/or benzamidoalkylamines GALAXY SURFACTANTS LTD. (IN) 2005-04-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050209327-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and / or benzamidoalkylamines NISCH, CUTA, PFAS EGFR 1822/4885KMT2A 899/4885HDAC3 2205/4885
US-20050080135-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and/or benzamidoalkylamines NISCH, CUTA, PFAS EGFR 1822/4885KMT2A 899/4885HDAC3 2205/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.